Geometry & MOs

Info

ID:	263919
PubChem CID:	103407638
Reduced:	ClNSC16H18 (1)
Stoich.:	ABCD16E18 (1)
Weight, g/mol:	233.064113
ΔH_f, kcal/mol:	33.58
Dipole, Da:	2.05
IP(EA), eV:	-8.9(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-chloro-4-methylthiophen-2-yl)-4-methoxybutan-1-amine

Drug info:

PubChemData

Smile

CC1=CSC(=C1Cl)C(C2=CC=CC(=C2)C3CCC3)N

DOS

IR

Vibrations